Pm3Nd(PuTe3)2
Alexandria ALEXAlex-ID: agm044857048 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_1_spg12
Nd2PuTe3 Pm2PuTe3
2024-11-03 05:07:05.802030
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044857048).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm044857048
data_agm044857048
_cell_length_a 7.70019
_cell_length_b 7.70019
_cell_length_c 7.76583
_cell_angle_alpha 80.48753
_cell_angle_beta 80.48753
_cell_angle_gamma 120.03215
_cell_volume 376.21240
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pm1 Pm 0.83566 0.16434 0.50000 1.00000
Pm2 Pm 0.16434 0.83566 0.50000 1.00000
Pm3 Pm 0.50000 0.50000 0.50000 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Pu1 Pu 0.66715 0.33285 0.00000 1.00000
Pu2 Pu 0.33285 0.66715 0.00000 1.00000
Te1 Te 0.57935 0.91685 0.24879 1.00000
Te2 Te 0.74442 0.74442 0.75280 1.00000
Te3 Te 0.42065 0.08315 0.75121 1.00000
Te4 Te 0.91685 0.57935 0.24879 1.00000
Te5 Te 0.25558 0.25558 0.24720 1.00000
Te6 Te 0.08315 0.42065 0.75121 1.00000
获取直接链接